N-[4-hydroxy-2,6-dimethyl-3-(2-methylprop-2-enyl)phenyl]formamide

C13H17NO2 — CID 10798918

IUPACN-[4-hydroxy-2,6-dimethyl-3-(2-methylprop-2-enyl)phenyl]formamide
SMILESC=C(C)Cc1c(O)cc(C)c(NC=O)c1C
InChIInChI=1S/C13H17NO2/c1-8(2)5-11-10(4)13(14-7-15)9(3)6-12(11)16/h6-7,16H,1,5H2,2-4H3,(H,14,15)
InChIKeyYNOHUAPXUCRUSX-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.70
Rot. Bonds4

About N-[4-hydroxy-2,6-dimethyl-3-(2-methylprop-2-enyl)phenyl]formamide

N-[4-hydroxy-2,6-dimethyl-3-(2-methylprop-2-enyl)phenyl]formamide (PubChem CID 10798918) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is N-[4-hydroxy-2,6-dimethyl-3-(2-methylprop-2-enyl)phenyl]formamide.

Molecular Properties

Compound NameN-[4-hydroxy-2,6-dimethyl-3-(2-methylprop-2-enyl)phenyl]formamide
PubChem CID10798918
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC NameN-[4-hydroxy-2,6-dimethyl-3-(2-methylprop-2-enyl)phenyl]formamide
SMILESC=C(C)Cc1c(O)cc(C)c(NC=O)c1C
InChIInChI=1S/C13H17NO2/c1-8(2)5-11-10(4)13(14-7-15)9(3)6-12(11)16/h6-7,16H,1,5H2,2-4H3,(H,14,15)
InChIKeyYNOHUAPXUCRUSX-UHFFFAOYSA-N
XLogP2.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[4-hydroxy-2,6-dimethyl-3-(2-methylprop-2-enyl)phenyl]formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(3-hydroxypropyl)-2,6-dimethylphenyl]formamide
CID 168944588
N-[2-(bromomethyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl]formamide;N-[4-hydroxy-2,3,6-trimethyl-5-(2-methylprop-2-enyl)phenyl]formamide
CID 158580194
1-ethyl-3,4,5-trimethyl-2-(2-methylprop-2-enyl)benzene
CID 144794742
N-(2,6-diethyl-4-hydroxyphenyl)formamide
CID 121217097
1,5-diethyl-3-methyl-2-(2-methylprop-2-enyl)benzene
CID 143345045
N-(2-hydroxy-4-methyl-6-oxo-1H-pyridin-3-yl)formamide
CID 19816441
N-[2-ethyl-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methylphenyl]formamide
CID 123283645
5-methyl-2-(2-methylprop-2-enyl)-3-propylphenol
CID 19877333
N-[4-(4-formamido-3,5-dimethylphenyl)sulfanyl-2,6-dimethylphenyl]formamide
CID 124926919
methyl 4-formamido-3,5-dimethylbenzoate
CID 134546996
1,8-bis(2-methylprop-2-enyl)naphthalene-2,7-diol
CID 139631768
N-(2-methyl-5-prop-1-en-2-ylphenyl)formamide
CID 143698511

Frequently Asked Questions

What is the IUPAC name of N-[4-hydroxy-2,6-dimethyl-3-(2-methylprop-2-enyl)phenyl]formamide?
The IUPAC name of N-[4-hydroxy-2,6-dimethyl-3-(2-methylprop-2-enyl)phenyl]formamide (CID 10798918) is N-[4-hydroxy-2,6-dimethyl-3-(2-methylprop-2-enyl)phenyl]formamide.
What is the SMILES notation for N-[4-hydroxy-2,6-dimethyl-3-(2-methylprop-2-enyl)phenyl]formamide?
The canonical SMILES for N-[4-hydroxy-2,6-dimethyl-3-(2-methylprop-2-enyl)phenyl]formamide is C=C(C)Cc1c(O)cc(C)c(NC=O)c1C.
What is the InChIKey of N-[4-hydroxy-2,6-dimethyl-3-(2-methylprop-2-enyl)phenyl]formamide?
The InChIKey is YNOHUAPXUCRUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-8(2)5-11-10(4)13(14-7-15)9(3)6-12(11)16/h6-7,16H,1,5H2,2-4H3,(H,14,15).
What are the key properties of N-[4-hydroxy-2,6-dimethyl-3-(2-methylprop-2-enyl)phenyl]formamide?
N-[4-hydroxy-2,6-dimethyl-3-(2-methylprop-2-enyl)phenyl]formamide has a molecular weight of 219.28 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-hydroxy-2,6-dimethyl-3-(2-methylprop-2-enyl)phenyl]formamide is sourced from PubChem (CID 10798918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).